2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid

C14H16N2O4 — CID 120702317

IUPAC2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc2ccccn2c1)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-20-7-5-12(14(18)19)15-13(17)10-8-11-4-2-3-6-16(11)9-10/h2-4,6,8-9,12H,5,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyJXOATRSOFCFBHG-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.16
Rot. Bonds6

About 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid

2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid (PubChem CID 120702317) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid
PubChem CID120702317
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc2ccccn2c1)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-20-7-5-12(14(18)19)15-13(17)10-8-11-4-2-3-6-16(11)9-10/h2-4,6,8-9,12H,5,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyJXOATRSOFCFBHG-UHFFFAOYSA-N
XLogP1.16
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619
N-[2-(indolizine-2-carbonylamino)phenyl]indolizine-2-carboxamide
CID 171577142
2-benzamido-4-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]butanoic acid
CID 154613203
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722

Frequently Asked Questions

What is the IUPAC name of 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid (CID 120702317) is 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid is COCCC(NC(=O)c1cc2ccccn2c1)C(=O)O.
What is the InChIKey of 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid?
The InChIKey is JXOATRSOFCFBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-7-5-12(14(18)19)15-13(17)10-8-11-4-2-3-6-16(11)9-10/h2-4,6,8-9,12H,5,7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid?
2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 120702317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).